SCHEMBL4035508

SCHEMBL4035508

CCOOC(=O)CCc1ccc(OCc2nc(-c3sccc3C)oc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARA Q07869 12/20 0.47
PPARG P37231 11/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4031591 0.93 PPARG (0.53) FFAR1PPARAPPARG
SCHEMBL4032032 0.88 FFAR1 (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL4025236 0.85 PPARA (0.64) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL4029635 0.84 PPARA (0.64) FFAR1PPARAPPARGMAPT
SCHEMBL4030193 0.83 PPARG (0.58) FFAR1PPARAPPARGMAPT
SCHEMBL4028583 0.82 FFAR1 (0.63) FFAR1PPARAPPARGMAPT
SCHEMBL4026030 0.82 FFAR1 (0.55) FFAR1PPARAPPARGMAPT
SCHEMBL4029907 0.81 FFAR1 (0.52) FFAR1PPARAPPARGMAPT
SCHEMBL4031258 0.81 FFAR1 (0.52) FFAR1PPARAPPARGMAPT
SCHEMBL4032530 0.81 PPARG (0.52) FFAR1PPARAPPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US claimed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARA 2339/4885PPARG 2043/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 FFAR1 2147/4885PPARA 2339/4885PPARG 2043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.